lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride

C17H34KLiO4 — CID 175224963

IUPAClithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
SMILESCC(C)(C)C(C)(C)OC(=O)CC(=O)OC(C)(C)C(C)(C)C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C17H32O4.K.Li.2H/c1-14(2,3)16(7,8)20-12(18)11-13(19)21-17(9,10)15(4,5)6;;;;/h11H2,1-10H3;;;;/q;2*+1;2*-1
InChIKeyHJENBXVEJMFEDI-UHFFFAOYSA-N
MW348.49 g/mol
LogP-1.65
Rot. Bonds4

About lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride

lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride (PubChem CID 175224963) has the molecular formula C17H34KLiO4 and a molecular weight of 348.49 g/mol. Its IUPAC name is lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride.

Molecular Properties

Compound Namelithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
PubChem CID175224963
Molecular FormulaC17H34KLiO4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Namelithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
SMILESCC(C)(C)C(C)(C)OC(=O)CC(=O)OC(C)(C)C(C)(C)C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C17H32O4.K.Li.2H/c1-14(2,3)16(7,8)20-12(18)11-13(19)21-17(9,10)15(4,5)6;;;;/h11H2,1-10H3;;;;/q;2*+1;2*-1
InChIKeyHJENBXVEJMFEDI-UHFFFAOYSA-N
XLogP-1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride
CID 175224821
bis(2,2,3,4,4-pentamethylpentan-3-yl) propanedioate
CID 175441685
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
bis(2-chloropropan-2-yl) propanedioate
CID 174722214
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
lithium;potassium;bis(3-oxo-3-(2,2,3-trimethylpentan-3-yloxy)propanoate)
CID 175224823
bis(2,2,3-trimethyloctan-3-yl) propanedioate
CID 175226011
2,3,3-trimethylbutan-2-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 59862030
lithium;potassium;hydride;3-(7-methylnonadecan-7-yloxy)-3-oxopropanoic acid
CID 174968630
[4-oxo-4-(2,3,3-trimethylbutan-2-yloxy)butyl] 2,2-dimethylbutanoate
CID 59819219
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
azanium 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
CID 11658375

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride?
The IUPAC name of lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride (CID 175224963) is lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride.
What is the SMILES notation for lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride?
The canonical SMILES for lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride is CC(C)(C)C(C)(C)OC(=O)CC(=O)OC(C)(C)C(C)(C)C.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride?
The InChIKey is HJENBXVEJMFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4.K.Li.2H/c1-14(2,3)16(7,8)20-12(18)11-13(19)21-17(9,10)15(4,5)6;;;;/h11H2,1-10H3;;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride?
lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride has a molecular weight of 348.49 g/mol, XLogP of -1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride is sourced from PubChem (CID 175224963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).